General Information of the Compound
| Compound ID |
CP0419146
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| Compound Name |
(R)-4-(3-(2,6-dimethylphenylamino)-6-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butane-1,2-diol
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| Structure |
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| Formula |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
Cc1cccc(C)c1Nc1nn(CC[C@@H](O)CO)c2nc(Nc3ccccc3)ncc12
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| InChI |
InChI=1S/C23H26N6O2/c1-15-7-6-8-16(2)20(15)26-21-19-13-24-23(25-17-9-4-3-5-10-17)27-22(19)29(28-21)12-11-18(31)14-30/h3-10,13,18,30-31H,11-12,14H2,1-2H3,(H,26,28)(H,24,25,27)/t18-/m1/s1
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| InChIKey |
QYPXYHBMOKMJRW-GOSISDBHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound